Information card for entry 4318992

Structure parameters

• Formula: C57 H44 Cl2 N4 O2 Zn
• Calculated formula: C54.01 H44 Cl1.27 N4 O1.55 Zn
• Title of publication: Synthesis, Crystal Structures, and Redox Potentials of 2,3,12,13-Tetrasubstituted 5,10,15,20-Tetraphenylporphyrin Zinc(II) Complexes
• Authors of publication: Yuichi Terazono; Brian O. Patrick; David H. Dolphin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6703 - 6710
• a: 13.585 ± 0.001 Å
• b: 18.182 ± 0.001 Å
• c: 18.065 ± 0.002 Å
• α: 90°
• β: 93.274 ± 0.003°
• γ: 90°
• Cell volume: 4454.8 ± 0.6 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections: 0.817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No